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I-TASSER results for job id Rv1000c

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

 Input Sequence in FASTA format
 Predicted Secondary Structure
 Predicted Solvent Accessibility
 Predicted Normalized B-facotr
 Top 10 threading templates used by I-TASSER
 Top 5 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)
 Proteins structureally close to the target in PDB (as identified by TM-align

(After the structure assembly simulation, I-TASSER uses the TM-align structural alignment program to match the first I-TASSER model to all structures in the PDB library. This section reports the top 10 proteins from the PDB that have the closest structural similarity, i.e. the highest TM-score, to the predicted I-TASSER model. Due to the structural similarity, these proteins often have similar function to the target. However, users are encouraged to use the data in the next section 'Predicted function using COACH' to infer the function of the target protein, since COACH has been extensively trained to derive biological functions from multi-source of sequence and structure features which has on average a higher accuracy than the function annotations derived only from the global structure comparison.)


 Predicted function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)


  Ligand binding sites

Rank C-score Cluster
size
PDB
Hit
Lig
Name
Download
Complex
Ligand Binding Site Residues
10.53 128 4rfrB RHN Rep, Mult 112,114,121,124,126,138,140,149,172,182,184,194,196,198,200
20.19 51 4qkbA MN Rep, Mult 124,126,182
30.11 39 3bucA NUC Rep, Mult 59,61,62,66,70,79,110,120,121,122,124,126,128,181,200
40.07 24 3bucA NUC Rep, Mult 62,63,64,65,152,187,188,189
50.01 5 3bu0A SCC Rep, Mult 79,126,128,132
60.00 1 2iuwA FE Rep, Mult 19,20
70.00 1 2iuw0 III Rep, Mult 28,30,95,99,100,101,102,103,104,105,134,137,173,174,203
80.00 2 3btzA QNA Rep, Mult 60,62,63,130,152,161,187,188
90.00 1 2iuwA FE Rep, Mult 21,22,23,26,29,175,179
100.00 1 5l9rA OGA Rep, Mult 33,161,162,168
110.00 1 3bkzA NUC Rep, Mult 161
120.00 1 2iuwA FE Rep, Mult 26,27,29,175,179
130.00 1 3bi3A NUC Rep, Mult 155,156,161

Download the all possible binding ligands and detailed prediction summary.
Download the templates clustering results.
(a)C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)Cluster size is the total number of templates in a cluster.
(c)Lig Name is name of possible binding ligand. Click the name to view its information in the BioLiP database.
(d)Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column.
Mult is the complex structures with all potential binding ligands in the cluster.

  Enzyme Commission (EC) numbers and active sites

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.0662a1xA0.6133.160.0730.7711.14.11.18182
20.0661unbA0.6043.970.1350.8201.14.20.1NA
30.0602h0vA0.4304.170.0540.6201.13.11.24140
40.0602qnkA0.4333.470.1320.5461.13.11.6143
50.0601h1iB0.4233.580.0540.5461.13.11.24NA
60.0601rtvA0.4533.740.0700.5905.1.3.13NA
70.0601e5rB0.5583.470.1030.7071.14.11.28NA
80.0602ilmA0.6643.820.0820.8731.14.11.16NA
90.0602ixlC0.4703.430.0460.5905.1.3.13NA
100.0601uofA0.5394.390.1130.7801.14.20.1NA
110.0603kv4A0.6104.010.0850.8051.14.11.27NA
120.0601zrrA0.4714.770.0690.7071.13.11.54,1.13.11.53179
130.0603eqeA0.4693.260.0580.5761.13.11.20124,141,195
140.0602yu1A0.6084.060.1140.8151.14.11.27137,176
150.0601dzrA0.4583.630.0480.5955.1.3.1375
160.0601uw8A0.5373.980.0960.7514.1.1.2NA
170.0601gp6A0.6563.770.0680.8881.14.11.19NA
180.0601pmiA0.4973.940.0590.6635.3.1.8NA
190.0602gdkB0.4274.420.0070.6202.7.7.12NA
200.0601gupA0.4104.450.0850.5902.7.7.12,2.7.7.10NA
210.0602ixhA0.4553.570.0560.5855.1.3.13124,180,182

(a)CscoreEC is the confidence score for the EC number prediction. CscoreEC values range in between [0-1];
where a higher score indicates a more reliable EC number prediction.
(b)TM-score is a measure of global structural similarity between query and template protein.
(c)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa is the percentage sequence identity in the structurally aligned region.
(e)Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided
by length of the query protein.

  Gene Ontology (GO) terms

Homologous GO templates in PDB 
RankCscoreGOTM-scoreRMSDaIDENaCovPDB HitAssociated GO Terms
00.510.9081.120.250.942iuwA GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0006281 GO:0006307 GO:0006974 GO:0008198 GO:0008283 GO:0016491 GO:0016706 GO:0031418 GO:0035552 GO:0035553 GO:0043734 GO:0046872 GO:0051213 GO:0051747 GO:0055114 GO:1990930
10.430.8261.810.250.903h8oA GO:0005634 GO:0005654 GO:0006281 GO:0006307 GO:0006974 GO:0008198 GO:0015630 GO:0016491 GO:0016706 GO:0035511 GO:0043734 GO:0046872 GO:0051213 GO:0051747 GO:0055114 GO:0070989 GO:0080111
20.350.7142.580.180.852fdjA GO:0006281 GO:0006307 GO:0006974 GO:0008198 GO:0016491 GO:0035515 GO:0035552 GO:0035553 GO:0042245 GO:0043734 GO:0046872 GO:0051213 GO:0051747 GO:0055114 GO:0070989 GO:0080111
30.270.6922.780.170.813thtB GO:0000049 GO:0000166 GO:0002098 GO:0003723 GO:0003824 GO:0005506 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006974 GO:0008152 GO:0008168 GO:0008198 GO:0008270 GO:0015630 GO:0016300 GO:0016491 GO:0016706 GO:0016740 GO:0030488 GO:0032259 GO:0046872 GO:0055114
40.250.7053.030.140.844nplA GO:0001666 GO:0005634 GO:0006397 GO:0006406 GO:0007283 GO:0016491 GO:0016607 GO:0016706 GO:0035515 GO:0035553 GO:0046872 GO:0051213 GO:0055114
50.220.7722.910.150.924ie6A GO:0001659 GO:0005634 GO:0006281 GO:0006307 GO:0006974 GO:0008198 GO:0010883 GO:0016491 GO:0016607 GO:0035515 GO:0035516 GO:0035552 GO:0035553 GO:0040014 GO:0042245 GO:0043734 GO:0044065 GO:0046872 GO:0051213 GO:0055114 GO:0060612 GO:0070350 GO:0070989 GO:0080111 GO:0090335 GO:1990931
60.200.7063.140.130.844nj4A GO:0001666 GO:0002230 GO:0005634 GO:0006397 GO:0006406 GO:0007283 GO:0016491 GO:0016607 GO:0016706 GO:0030154 GO:0035515 GO:0035553 GO:0044822 GO:0046872 GO:0051213 GO:0055114 GO:0098792
70.120.7243.370.130.905d9yA GO:0001822 GO:0002318 GO:0003677 GO:0006211 GO:0006493 GO:0007049 GO:0008198 GO:0008270 GO:0009791 GO:0014070 GO:0016491 GO:0016568 GO:0016706 GO:0019857 GO:0019858 GO:0020027 GO:0030097 GO:0030099 GO:0045944 GO:0046872 GO:0048536 GO:0048872 GO:0051213 GO:0055114 GO:0061484 GO:0070579 GO:0072576 GO:0080111 GO:0080182
80.060.3035.200.040.503p1iA GO:0000166 GO:0001525 GO:0001655 GO:0004672 GO:0004713 GO:0004714 GO:0005003 GO:0005524 GO:0005576 GO:0005829 GO:0005886 GO:0005887 GO:0006468 GO:0007169 GO:0007275 GO:0007399 GO:0007411 GO:0007413 GO:0008046 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0018108 GO:0021952 GO:0022038 GO:0022407 GO:0030425 GO:0031290 GO:0034446 GO:0042995 GO:0043087 GO:0046777 GO:0048013 GO:0048538 GO:0048546 GO:0050770 GO:0051965 GO:0060021 GO:0060996 GO:0060997
90.060.3435.410.040.574djlA GO:0004180 GO:0004181 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0046872
100.060.3315.020.060.504qc6A GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0008080 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0016746 GO:0046677
110.060.2806.380.060.553v2gA GO:0004316 GO:0016491 GO:0055114 GO:0102132
120.060.2725.640.030.485dtwC GO:0003824 GO:0004300 GO:0005618 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0008152 GO:0016829 GO:0016853
130.060.2926.020.050.532nrvA GO:0003677 GO:0004518 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009380 GO:0009381 GO:0009432 GO:0090305
140.060.2796.220.070.543ezyA GO:0008152 GO:0016491 GO:0050112 GO:0055114
150.060.2656.120.040.493t5vA GO:0000973 GO:0005634 GO:0005635 GO:0005643 GO:0006283 GO:0006351 GO:0006355 GO:0006406 GO:0006611 GO:0006810 GO:0007067 GO:0030029 GO:0031124 GO:0042274 GO:0051028 GO:0070390 GO:0071033
160.060.2686.090.040.513eiqD GO:0000166 GO:0000289 GO:0000339 GO:0003676 GO:0003723 GO:0003725 GO:0003729 GO:0003743 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006412 GO:0006413 GO:0006446 GO:0008135 GO:0010468 GO:0010501 GO:0016020 GO:0016032 GO:0016281 GO:0016787 GO:0016887 GO:0031012 GO:0031100 GO:0044822 GO:0070062
170.060.2575.900.020.495dx1A GO:0003420 GO:0003713 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006479 GO:0006977 GO:0007568 GO:0008013 GO:0008168 GO:0008276 GO:0008284 GO:0008469 GO:0016032 GO:0016274 GO:0016568 GO:0016571 GO:0016740 GO:0019919 GO:0030374 GO:0030518 GO:0030520 GO:0032091 GO:0032259 GO:0033146 GO:0034969 GO:0034970 GO:0034971 GO:0035242 GO:0035246 GO:0035642 GO:0042054 GO:0042803 GO:0044212 GO:0044255 GO:0045600 GO:0051591 GO:0060350 GO:0070577 GO:0090575 GO:1902415 GO:2000171
180.060.2524.850.040.403pj9D GO:0000166 GO:0004550 GO:0005524 GO:0005737 GO:0006165 GO:0006183 GO:0006228 GO:0006241 GO:0009117 GO:0016301 GO:0016310 GO:0016740 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0008198 GO:0043734 GO:0051747 GO:1901265 GO:0008175 GO:0003676 GO:1990930 GO:0031418
GO-Score 0.86 0.81 0.81 0.54 0.54 0.54 0.51 0.51
Biological Processes GO:0006307 GO:0035553 GO:0035552 GO:0001510 GO:0002097 GO:0008283 GO:0051028 GO:0048232 GO:0071427 GO:0036293 GO:0006405 GO:0016071 GO:0042245
GO-Score 0.81 0.76 0.68 0.54 0.54 0.51 0.50 0.50 0.50 0.50 0.50 0.50 0.35
Cellular Component GO:0015630 GO:0005739 GO:0016604
GO-Score 0.58 0.51 0.50

(a)CscoreGO is a combined measure for evaluating global and local similarity between query and template protein. It's range is [0-1] and higher values indicate more confident predictions.
(b)TM-score is a measure of global structural similarity between query and template protein.
(c)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa is the percentage sequence identity in the structurally aligned region.
(e)Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.
(f)The second table shows a consensus GO terms amongst the top scoring templates. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on CscoreGO of the template.

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]



Please cite the following articles when you use the I-TASSER server:
1. J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8, 2015.
2. J Yang, Y Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.
3.A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738, 2010.
4.Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9: 40, 2008.